ESTA - BACSU - GREMLIN Contacts

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ESTA - Lipase EstA

UniProt:	P37957	Sequences: MKFVKRRIIALVTILMLSVTSLFALQPSAKAAEHNPVVMVHGIGGASFNFAGIKSYLVSQGWSRDKLYAVDFWDKTGTNYNNGPVLSRFVQKVLDETGAKKVDIVAHSMGGANTLYYIKNLDGGNKVANVVTLGGANRLTTGKALPGTDPNQKILYTSIYSSADMIVMNYLSRLDGARNVQIHGVGHIGLLYSSQVNSLIKEGLNGGGQNTN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	212 (176)
Sequences:	3613 (2585)
Seq/√Len:	194.9

BACSU - ESTA ESTB

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
134_G	190_L	3.755	1.00
132_T	137_N	3.403	1.00
114_T	130_V	3.137	1.00
111_G	135_G	3.131	1.00
43_I	109_M	2.957	1.00
115_L	137_N	2.779	1.00
132_T	135_G	2.519	1.00
35_N	101_K	2.434	1.00
35_N	103_D	2.358	1.00
40_V	114_T	2.353	1.00
116_Y	121_L	2.347	1.00
104_I	114_T	2.343	1.00
47_S	71_D	2.301	1.00
103_D	128_A	2.297	1.00
40_V	86_L	2.236	1.00
106_A	114_T	2.127	1.00
91_Q	126_K	2.084	1.00
112_A	135_G	2.057	1.00
60_Q	201_K	2.015	1.00
56_Y	197_N	1.984	1.00
101_K	128_A	1.971	1.00
94_L	126_K	1.879	1.00
118_I	130_V	1.879	1.00
56_Y	60_Q	1.802	1.00
141_T	168_M	1.782	1.00
53_I	200_I	1.775	1.00
83_G	116_Y	1.772	1.00
112_A	136_A	1.747	1.00
116_Y	120_N	1.733	1.00
45_G	49_N	1.662	1.00
38_V	104_I	1.641	1.00
37_V	105_V	1.630	1.00
90_V	117_Y	1.602	1.00
92_K	96_E	1.599	1.00
157_T	203_G	1.598	1.00
35_N	128_A	1.594	1.00
167_V	172_S	1.559	1.00
70_V	86_L	1.558	1.00
87_S	117_Y	1.519	1.00
43_I	140_T	1.504	1.00
83_G	117_Y	1.498	1.00
38_V	93_V	1.468	1.00
186_G	189_G	1.430	1.00
93_V	97_T	1.423	1.00
87_S	91_Q	1.410	1.00
118_I	127_V	1.397	1.00
90_V	102_V	1.395	1.00
38_V	89_F	1.390	1.00
39_M	57_L	1.380	1.00
129_N	157_T	1.353	1.00
39_M	50_F	1.343	1.00
54_K	58_V	1.340	1.00
117_Y	123_G	1.333	1.00
43_I	166_I	1.324	1.00
80_Y	116_Y	1.304	1.00
111_G	132_T	1.293	1.00
94_L	99_A	1.290	1.00
39_M	54_K	1.285	1.00
103_D	129_N	1.283	1.00
38_V	102_V	1.280	1.00
129_N	155_L	1.274	1.00
105_V	200_I	1.260	1.00
185_V	193_S	1.258	1.00
140_T	143_K	1.252	1.00
49_N	191_L	1.247	1.00
70_V	89_F	1.227	1.00
53_I	197_N	1.191	1.00
199_L	202_E	1.173	1.00
89_F	92_K	1.150	1.00
78_T	81_N	1.142	1.00
185_V	189_G	1.132	1.00
37_V	57_L	1.129	1.00
41_H	71_D	1.126	1.00
139_L	143_K	1.111	1.00
106_A	135_G	1.100	1.00
169_N	172_S	1.085	1.00
148_T	152_Q	1.079	1.00
72_F	75_K	1.075	1.00
136_A	167_V	1.075	1.00
104_I	127_V	1.065	1.00
137_N	158_S	1.063	1.00
68_Y	93_V	1.060	1.00
201_K	205_N	1.045	1.00
133_L	196_V	1.036	1.00
89_F	93_V	1.024	1.00
131_V	200_I	1.023	1.00
68_Y	97_T	1.017	1.00
79_N	109_M	1.016	1.00
74_D	109_M	1.010	1.00
168_M	172_S	0.994	1.00
56_Y	59_S	0.994	1.00
188_I	191_L	0.988	1.00
82_N	113_N	0.987	0.99
42_G	108_S	0.984	0.99
56_Y	201_K	0.983	0.99
111_G	136_A	0.961	0.99
115_L	136_A	0.960	0.99
168_M	171_L	0.955	0.99
176_G	182_I	0.951	0.99
119_K	147_G	0.946	0.99
103_D	204_L	0.928	0.99
131_V	203_G	0.924	0.99
39_M	105_V	0.917	0.99
41_H	69_A	0.916	0.99
45_G	191_L	0.913	0.99
51_A	55_S	0.907	0.99
54_K	69_A	0.899	0.99
88_R	92_K	0.897	0.99
149_D	152_Q	0.886	0.99
185_V	190_L	0.884	0.99
74_D	77_G	0.879	0.99
30_K	34_H	0.879	0.99
30_K	33_E	0.872	0.99
83_G	87_S	0.868	0.99
148_T	156_Y	0.852	0.99
77_G	81_N	0.851	0.99
37_V	103_D	0.849	0.98
84_P	88_R	0.843	0.98
115_L	145_L	0.835	0.98
27_P	63_S	0.823	0.98
72_F	82_N	0.812	0.98
160_Y	181_Q	0.804	0.98
198_S	201_K	0.802	0.98
91_Q	94_L	0.800	0.98
52_G	55_S	0.800	0.98
26_Q	29_A	0.797	0.98
151_N	156_Y	0.791	0.98
147_G	150_P	0.788	0.98
44_G	76_T	0.788	0.98
60_Q	197_N	0.788	0.98
133_L	190_L	0.785	0.97
41_H	166_I	0.785	0.97
48_F	51_A	0.784	0.97
92_K	95_D	0.775	0.97
167_V	171_L	0.774	0.97
165_M	169_N	0.771	0.97
41_H	50_F	0.770	0.97
111_G	130_V	0.769	0.97
83_G	121_L	0.760	0.97
151_N	154_I	0.755	0.97
85_V	89_F	0.753	0.97
105_V	133_L	0.748	0.97
62_W	67_L	0.744	0.97
146_P	153_K	0.744	0.97
112_A	143_K	0.742	0.96
79_N	113_N	0.740	0.96
107_H	191_L	0.739	0.96
68_Y	89_F	0.738	0.96
31_A	34_H	0.737	0.96
123_G	126_K	0.736	0.96
45_G	166_I	0.730	0.96
36_P	68_Y	0.728	0.96
58_V	67_L	0.725	0.96
94_L	100_K	0.724	0.96
53_I	57_L	0.719	0.96
72_F	109_M	0.717	0.96
166_I	191_L	0.716	0.96
91_Q	123_G	0.711	0.95
39_M	67_L	0.708	0.95
149_D	155_L	0.704	0.95
145_L	150_P	0.702	0.95
195_Q	198_S	0.697	0.95
106_A	118_I	0.692	0.95
116_Y	119_K	0.689	0.95
179_N	182_I	0.685	0.94
138_R	145_L	0.683	0.94
41_H	142_G	0.681	0.94
84_P	87_S	0.680	0.94
118_I	151_N	0.678	0.94
39_M	53_I	0.675	0.94
79_N	112_A	0.674	0.94
181_Q	184_G	0.670	0.94
52_G	56_Y	0.670	0.94
142_G	166_I	0.670	0.94
72_F	113_N	0.669	0.94
78_T	82_N	0.667	0.94
47_S	69_A	0.667	0.94
47_S	70_V	0.666	0.94
80_Y	84_P	0.661	0.93
85_V	88_R	0.659	0.93
150_P	156_Y	0.659	0.93
93_V	99_A	0.658	0.93
27_P	30_K	0.655	0.93
72_F	76_T	0.651	0.93
135_G	158_S	0.644	0.92
185_V	196_V	0.643	0.92
177_A	180_V	0.642	0.92
199_L	203_G	0.640	0.92
133_L	200_I	0.637	0.92
145_L	151_N	0.636	0.92
86_L	113_N	0.634	0.92
138_R	174_L	0.631	0.92
106_A	132_T	0.624	0.91
79_N	83_G	0.622	0.91
105_V	131_V	0.621	0.91
113_N	135_G	0.616	0.91
197_N	201_K	0.614	0.91
26_Q	31_A	0.612	0.90
29_A	34_H	0.612	0.90
132_T	136_A	0.611	0.90
90_V	104_I	0.610	0.90
153_K	156_Y	0.610	0.90
97_T	101_K	0.608	0.90
48_F	192_Y	0.604	0.90
145_L	156_Y	0.602	0.90
162_S	183_H	0.598	0.89
81_N	85_V	0.595	0.89
57_L	204_L	0.591	0.89
35_N	100_K	0.587	0.89
159_I	163_A	0.586	0.89
161_S	169_N	0.585	0.88
160_Y	173_R	0.584	0.88
43_I	167_V	0.582	0.88
26_Q	30_K	0.580	0.88
145_L	148_T	0.576	0.88
159_I	180_V	0.574	0.87
115_L	139_L	0.573	0.87
87_S	123_G	0.571	0.87
157_T	180_V	0.570	0.87
159_I	169_N	0.565	0.87
117_Y	126_K	0.562	0.86
107_H	133_L	0.562	0.86
57_L	62_W	0.561	0.86
91_Q	117_Y	0.559	0.86
46_A	75_K	0.558	0.86
45_G	109_M	0.557	0.86
79_N	82_N	0.557	0.86
87_S	122_D	0.556	0.86
150_P	153_K	0.554	0.86
165_M	186_G	0.549	0.85
199_L	205_N	0.547	0.85
55_S	58_V	0.545	0.85
146_P	151_N	0.542	0.84
111_G	137_N	0.541	0.84
54_K	67_L	0.538	0.84
107_H	166_I	0.538	0.84
103_D	131_V	0.538	0.84
46_A	49_N	0.535	0.84
36_P	99_A	0.534	0.83
140_T	166_I	0.534	0.83
31_A	95_D	0.530	0.83
136_A	171_L	0.529	0.83
104_I	117_Y	0.528	0.83
38_V	90_V	0.528	0.83
49_N	107_H	0.527	0.83
81_N	84_P	0.526	0.83
146_P	149_D	0.522	0.82
36_P	127_V	0.520	0.82
107_H	110_G	0.520	0.82
112_A	139_L	0.518	0.82
159_I	190_L	0.518	0.82
158_S	173_R	0.518	0.82
179_N	183_H	0.517	0.81
50_F	107_H	0.516	0.81
119_K	148_T	0.514	0.81
140_T	169_N	0.513	0.81
45_G	107_H	0.510	0.81
80_Y	120_N	0.508	0.80
51_A	54_K	0.506	0.80
170_Y	173_R	0.505	0.80
170_Y	181_Q	0.503	0.80
145_L	152_Q	0.501	0.79
93_V	102_V	0.500	0.79
140_T	167_V	0.500	0.79

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
1ispA	1	0.8443	100	0.448	Contact Map
3ds8A	1	0.8491	99.9	0.506	Contact Map
2x5xA	2	1	99.9	0.525	Contact Map
3lp5A	1	0.8443	99.9	0.534	Contact Map
4k5qA	1	0.9717	99.9	0.539	Contact Map
3icvA	2	0.9623	99.9	0.543	Contact Map
4hs9A	1	0.8113	99.9	0.545	Contact Map
4fkbA	2	0.8255	99.9	0.554	Contact Map
3fleA	1	0.8066	99.9	0.558	Contact Map
2hihA	2	0.8632	99.9	0.559	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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